| About this Abstract |
| Meeting |
2023 TMS Annual Meeting & Exhibition
|
| Symposium
|
Advances in Multi-Principal Element Alloys II
|
| Presentation Title |
J-62: Phase-field Crystal Modeling of Deformation Mechanics in BCC Refractory Metal-based MPEAs |
| Author(s) |
Kate L. M. Elder, Joel Berry, Amit Samanta, Aurelien Perron, Scott McCall, Joseph McKeown |
| On-Site Speaker (Planned) |
Kate L. M. Elder |
| Abstract Scope |
Refractory metal-based multi-principal element alloys (MPEAs) with a body centered cubic (BCC) structure can maintain excellent mechanical properties at high temperatures. However, the dominant plasticity mechanisms (e.g. edge versus screw dislocation processes) are debated. Difficulty in addressing this issue with atomistic simulations stems partly from the fact that high-temperature plasticity involves rapid dislocation glide, slow dislocation climb, and slow diffusional composition rearrangements. Relative to traditional alloys, these processes are further complicated by the atypical composition environments in MPEAs. To explore the microstructural origin of refractory MPEA mechanical performance, phase-field crystal (PFC) modeling, a phenomenologically time-averaged atomistic method, is used. This technique describes glide, climb, and compositional diffusion kinetics while spanning atomistic to microstructural length scales. A new PFC model for direct simulation of high-temperature dislocation kinetics in MPEAs will be presented along with results and insights from simulated deformation experiments. Prepared by LLNL under Contract DE-AC52-07NA27344. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
High-Entropy Alloys, Mechanical Properties, Modeling and Simulation |